1F28
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII BOUND TO DUMP AND BW1843U89
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004799 | molecular_function | thymidylate synthase activity |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005829 | cellular_component | cytosol |
| A | 0006231 | biological_process | dTMP biosynthetic process |
| A | 0006235 | biological_process | dTTP biosynthetic process |
| A | 0008168 | molecular_function | methyltransferase activity |
| A | 0009165 | biological_process | nucleotide biosynthetic process |
| A | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| A | 0032259 | biological_process | methylation |
| B | 0004799 | molecular_function | thymidylate synthase activity |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005829 | cellular_component | cytosol |
| B | 0006231 | biological_process | dTMP biosynthetic process |
| B | 0006235 | biological_process | dTTP biosynthetic process |
| B | 0008168 | molecular_function | methyltransferase activity |
| B | 0009165 | biological_process | nucleotide biosynthetic process |
| B | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| B | 0032259 | biological_process | methylation |
| C | 0004799 | molecular_function | thymidylate synthase activity |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0005829 | cellular_component | cytosol |
| C | 0006231 | biological_process | dTMP biosynthetic process |
| C | 0006235 | biological_process | dTTP biosynthetic process |
| C | 0008168 | molecular_function | methyltransferase activity |
| C | 0009165 | biological_process | nucleotide biosynthetic process |
| C | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| C | 0032259 | biological_process | methylation |
| D | 0004799 | molecular_function | thymidylate synthase activity |
| D | 0005739 | cellular_component | mitochondrion |
| D | 0005829 | cellular_component | cytosol |
| D | 0006231 | biological_process | dTMP biosynthetic process |
| D | 0006235 | biological_process | dTTP biosynthetic process |
| D | 0008168 | molecular_function | methyltransferase activity |
| D | 0009165 | biological_process | nucleotide biosynthetic process |
| D | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| D | 0032259 | biological_process | methylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE UMP A 301 |
| Chain | Residue |
| A | ARG26 |
| A | ASN210 |
| A | HIS240 |
| A | TYR242 |
| A | F89401 |
| A | HOH519 |
| B | ARG153 |
| B | ARG154 |
| B | HOH741 |
| A | LEU170 |
| A | CYS173 |
| A | HIS174 |
| A | GLN198 |
| A | ARG199 |
| A | SER200 |
| A | ASP202 |
| A | GLY206 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE UMP B 302 |
| Chain | Residue |
| A | ARG153 |
| A | ARG154 |
| B | ARG26 |
| B | LEU170 |
| B | CYS173 |
| B | HIS174 |
| B | GLN198 |
| B | ARG199 |
| B | SER200 |
| B | ASP202 |
| B | ASN210 |
| B | HIS240 |
| B | TYR242 |
| B | F89402 |
| B | HOH682 |
| B | HOH748 |
| site_id | AC3 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE UMP C 303 |
| Chain | Residue |
| C | ARG26 |
| C | TYR113 |
| C | LEU170 |
| C | CYS173 |
| C | HIS174 |
| C | GLN198 |
| C | ARG199 |
| C | SER200 |
| C | ASP202 |
| C | GLY206 |
| C | ASN210 |
| C | HIS240 |
| C | TYR242 |
| C | F89403 |
| C | HOH589 |
| D | ARG153 |
| D | ARG154 |
| site_id | AC4 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE UMP D 304 |
| Chain | Residue |
| C | ARG153 |
| C | ARG154 |
| C | HOH756 |
| D | ARG26 |
| D | LEU170 |
| D | CYS173 |
| D | HIS174 |
| D | GLN198 |
| D | ARG199 |
| D | SER200 |
| D | ASP202 |
| D | ASN210 |
| D | HIS240 |
| D | TYR242 |
| D | F89404 |
| D | HOH690 |
| site_id | AC5 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE F89 A 401 |
| Chain | Residue |
| A | PHE58 |
| A | GLY61 |
| A | GLU65 |
| A | HIS85 |
| A | ILE86 |
| A | TRP87 |
| A | ASN90 |
| A | LEU170 |
| A | ASP202 |
| A | LEU205 |
| A | GLY206 |
| A | PHE209 |
| A | SER296 |
| A | UMP301 |
| site_id | AC6 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE F89 B 402 |
| Chain | Residue |
| B | PHE58 |
| B | GLY61 |
| B | GLU65 |
| B | HIS85 |
| B | ILE86 |
| B | TRP87 |
| B | ASN90 |
| B | ASP202 |
| B | GLY206 |
| B | PHE209 |
| B | TYR242 |
| B | MET295 |
| B | ILE297 |
| B | UMP302 |
| B | HOH643 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE F89 C 403 |
| Chain | Residue |
| C | ILE86 |
| C | TRP87 |
| C | ASN90 |
| C | LEU170 |
| C | ASP202 |
| C | LEU205 |
| C | GLY206 |
| C | PHE209 |
| C | TYR242 |
| C | SER296 |
| C | UMP303 |
| C | PHE58 |
| C | GLY61 |
| C | GLU65 |
| C | HIS85 |
| site_id | AC8 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE F89 D 404 |
| Chain | Residue |
| D | PHE58 |
| D | GLY61 |
| D | GLU65 |
| D | HIS85 |
| D | ILE86 |
| D | TRP87 |
| D | ASN90 |
| D | ASP202 |
| D | GLY206 |
| D | PHE209 |
| D | TYR242 |
| D | MET295 |
| D | ILE297 |
| D | UMP304 |
Functional Information from PROSITE/UniProt
| site_id | PS00091 |
| Number of Residues | 29 |
| Details | THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RrlIlsaWNpadlekma.....LpPCHmfcQFyV |
| Chain | Residue | Details |
| A | ARG153-VAL181 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile => ECO:0000250|UniProtKB:P0A884 |
| Chain | Residue | Details |
| A | CYS173 | |
| B | CYS173 | |
| C | CYS173 | |
| D | CYS173 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | BINDING: in other chain => ECO:0000250|UniProtKB:P0A884 |
| Chain | Residue | Details |
| A | ARG26 | |
| C | ARG199 | |
| C | ASN210 | |
| C | HIS240 | |
| D | ARG26 | |
| D | ARG199 | |
| D | ASN210 | |
| D | HIS240 | |
| A | ARG199 | |
| A | ASN210 | |
| A | HIS240 | |
| B | ARG26 | |
| B | ARG199 | |
| B | ASN210 | |
| B | HIS240 | |
| C | ARG26 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P0A884 |
| Chain | Residue | Details |
| A | ARG153 | |
| A | ASP202 | |
| B | ARG153 | |
| B | ASP202 | |
| C | ARG153 | |
| C | ASP202 | |
| D | ARG153 | |
| D | ASP202 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 6 |
| Details | Annotated By Reference To The Literature 1lcb |
| Chain | Residue | Details |
| A | SER200 | |
| A | ASP238 | |
| A | GLU65 | |
| A | CYS173 | |
| A | HIS240 | |
| A | ASP202 |
| site_id | CSA2 |
| Number of Residues | 6 |
| Details | Annotated By Reference To The Literature 1lcb |
| Chain | Residue | Details |
| B | SER200 | |
| B | ASP238 | |
| B | GLU65 | |
| B | CYS173 | |
| B | HIS240 | |
| B | ASP202 |
| site_id | CSA3 |
| Number of Residues | 6 |
| Details | Annotated By Reference To The Literature 1lcb |
| Chain | Residue | Details |
| C | SER200 | |
| C | ASP238 | |
| C | GLU65 | |
| C | CYS173 | |
| C | HIS240 | |
| C | ASP202 |
| site_id | CSA4 |
| Number of Residues | 6 |
| Details | Annotated By Reference To The Literature 1lcb |
| Chain | Residue | Details |
| D | SER200 | |
| D | ASP238 | |
| D | GLU65 | |
| D | CYS173 | |
| D | HIS240 | |
| D | ASP202 |
